SCHEMBL28035600

SCHEMBL28035600

CC(C)(OC=O)c1cc(CCl)ccc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.34
TTR P02766 1/20 0.34
S1PR1 P21453 1/20 0.33
FOLH1 Q04609 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GSTP1 P09211 1/20 0.31
MMP2 P08253 1/20 0.31
RORC P51449 1/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
SLC16A3 O15427 1/20 0.30
PDCD1 Q15116 2/20 0.30
CD274 Q9NZQ7 2/20 0.30
SHMT1 P34896 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28035672 0.86 S1PR1 (0.33) CSNK2A1S1PR1FOLH1TDP1GSTP1
Tert-Butyl Formate SCHEMBL28035122 0.78 TDP1 (0.43) TDP1GAA
SCHEMBL28035602 0.78 TDP1 (0.41) TDP1MEN1KMT2A
Biphenyl SCHEMBL27794837 0.68 TDP1 (0.62) TDP1PDCD1CD274GAA
SCHEMBL3573143 0.67 TTR (0.59) CSNK2A1TTRTDP1MEN1KMT2A
Tert-Butyl Formate SCHEMBL28032597 0.67 TDP1 (0.59) TDP1MEN1GAAKMT2A
Tert-Butyl Formate SCHEMBL27502194 0.66 TDP1 (0.43) TDP1GAA
SCHEMBL2313788 0.66 FFAR1 (0.50) TTRTDP1CD274MEN1KMT2A
SCHEMBL29712512 0.66 CSNK2A1 (0.46) CSNK2A1TTRFOLH1GSTP1KMT2A
SCHEMBL11368554 0.66 ALOX5 (0.55) CSNK2A1TTRFOLH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105330541-B The synthetic method of the alkyl formate of 4 ' halogenated methyl biphenyl 2 常州博世伟业生物科技有限公司 2017-09-12 CN disclosed
CN-105330541-A Synthesis method of 4'-halogenated methylbiphenyl-2-formic aid alkyl ester CHANGZHOU BOSHI WEIYE BIOTECHNOLOGY CO LTD 2016-02-17 CN disclosed